pregnenolone (Q412158)

pregnenolone (English)

1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

17 November 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

1-[(3S,8R,9R,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₂

1 reference

pregnenolone (English)

17 November 2016

canonical SMILES

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

1 reference

pregnenolone (English)

17 November 2016

isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

pregnenolone (English)

17 November 2016

2 references

A community-driven global reconstruction of human metabolism.

Botrytis cinerea

1 reference

Biotransformation of testosterone and pregnenolone catalyzed by the fungus Botrytis cinerea

Abedus herberti

1 reference

Pregnanes from defensive glands of a belostomatid bug.

Amphimedon compressa

1 reference

A Novel Biosynthetic Route to Pregnanes in the Marine Sponge Amphimedon compressa

Haliclona compressa

1 reference

A Novel Biosynthetic Route to Pregnanes in the Marine Sponge Amphimedon compressa

Dictamnus dasycarpus

3 references

Antifungal alkaloids and limonoid derivatives from Dictamnus dasycarpus

Dictamnol, a New Trinor-Guaiane Type Sesquiterpene, from the Roots of Dictamnus dasycarpus Turcz.

Sesquiterpene glycosides from Dictamnus dasycarpus

Heracleum rapula

1 reference

Constituents from the roots of Heracleum rapula Franch

Oreocome striata

1 reference

Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.

Locusta migratoria

1 reference

On the origin of vertebrate-type steroids present in Locusta migratoria: do they originate from the food?

Mangifera indica

1 reference

Differences in phenolic and steroidal constituents between healthy and infected florets of Mangifera indica

Hansenia weberbaueriana

1 reference

Analgesic component of Notopterygium incisum Ting

Sarcophyton crassocaule

1 reference

Novel epoxy steroids from the indian ocean soft coral Sarcophyton crassocaule

Sinularia ovispiculata

1 reference

Metabolites of the Soft Coral Sinularia ovispiculata from the Indian Ocean

Ashitaba

1 reference

Compounds from Angelica keiskei with NQO1 induction, DPPH scavenging and α-glucosidase inhibitory activities

Lobophytum crassum

1 reference

A New Cembranoid Diterpene and Other Related Metabolites from the South-China-Sea Soft CoralLobophytum crassum

Lobophytum laevigatum

1 reference

Cytotoxic and PPARs transcriptional activities of sterols from the Vietnamese soft coral Lobophytum laevigatum.

Sinularia gibberosa

1 reference

1alpha,3beta,5beta-trihydroxy-24-methylenecholestan-6-one: a novel steroid from a soft coral Sinularia gibberosa.

Confused flour beetle

1 reference

STEROL METABOLISM IN LARVAE OF THE CONFUSED FLOUR BEETLE, TRIBOLIUM CONFUSUM.

Zanthoxylum ailanthoides

2 references

Two new sesquiterpenoids and anti-HIV principles from the root bark of Zanthoxylum ailanthoides

Chemical Constituents from the Root Bark of FormosanZanthoxylum Ailanthoides

Zanthoxylum integrifolium

1 reference

Chemical constituents and biological activities of the fruit of Zanthoxylum integrifoliolum

Apiaceae

2 references

Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides

Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.

Ligusticum officinale

2 references

Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.

Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides

Levisticum officinale

2 references

Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.

Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

has part(s)

carbon

0 references

Commons category

Pregnenolone

0 references

Identifiers

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1

1 reference

pregnenolone (English)

17 November 2016

2 references

pregnenolone (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

145-13-1

2 references

pregnenolone (English)

17 November 2016

https://commonchemistry.cas.org/detail?cas_rn=145-13-1

9 April 2021

1 reference

Pregnenolone (English)

17 November 2016

2 references

pregnenolone (English)

17 November 2016

Reaxys registry number

2059026

1 reference

pregnenolone (English)

19 October 2016

ChEBI ID

16581

mapping relation type

2 references

PREGNENOLONE (English)

17 November 2016

International Chemical Identifier

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1

1 reference

PREGNENOLONE (English)

17 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP007248

1 reference

MassBank accession ID

0 references

SPLASH

splash10-05o0-2982000000-90eb349ceb4f7cdf4bf0

0 references

DSSTox substance ID

DTXSID1036541

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

0 references

1 reference

pregnenolone (English)

ECHA Substance Infocard ID

17 November 2016

100.005.135

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.005.135

27 December 2018

Guide to Pharmacology Ligand ID

Pregnenolone (English)

quotation

CAS no.: 145-13-1 (English)

2376

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2376

pregnenolone (English)

17 November 2016

Pregnenolone

0 references

MeSH tree code

D04.210.500.745.745.725

0 references

D06.472.040.585.745

0 references

D06.472.334.851.687.500

0 references

RxNorm ID

114052

1 reference

pregnenolone (English)

17 November 2016

DrugBank ID

DB02789

1 reference

Human Metabolome Database ID

HMDB0000253

2 references

based on heuristic

inferred from InChIKey

2 references

pregnenolone (English)

17 November 2016

PatientsLikeMe treatment ID

0 references

1 reference

pregnenolone (English)

17 November 2016

0 references

1 reference

Encyclopædia Britannica Online ID

pregnenolone (English)

19 October 2016

0 references

0 references

science/pregnenolone

subject named as

pregnenolone

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

1Q20 (English)

19 October 2016

1 reference

4NKW (English)

19 October 2016

1 reference

imported from Wikimedia project

4J6B (English)

19 October 2016

1 reference

1 reference

1 reference

pregnenolone (English)